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Details

Stereochemistry RACEMIC
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENYLBUTYRIC ACID

SMILES

CCC(C(O)=O)C1=CC=CC=C1

InChI

InChIKey=OFJWFSNDPCAWDK-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H12O2
Molecular Weight 164.2011
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Inhibition of lipid synthesis by alpha-phenyl-N-butyrate and related compounds.
1955 Oct
Failure of alpha-phenylbutyrate and beta-phenylvalerate in treatment of hypercholesterolemia.
1957 Mar
Studies on mechanism of action of alpha-phenylbutyrate.
1958 Mar
Substance Class Chemical
Created
by admin
on Thu Jul 06 14:17:35 UTC 2023
Edited
by admin
on Thu Jul 06 14:17:35 UTC 2023
Record UNII
S7S079H2C2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHENYLBUTYRIC ACID
Systematic Name English
(±)-2-PHENYLBUTYRIC ACID
Systematic Name English
(RS)-2-PHENYLBUTANOIC ACID
Systematic Name English
PRIMIDONE IMPURITY E [EP IMPURITY]
Common Name English
(±)-2-PHENYLBUTANOIC ACID
Systematic Name English
BUTYRIC ACID, 2-PHENYL-
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-ETHYL-
Systematic Name English
2-PHENYLBUTANOIC ACID
Systematic Name English
NSC-1860
Code English
Classification Tree Code System Code
NCI_THESAURUS C1946
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
Code System Code Type Description
CAS
90-27-7
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
NCI_THESAURUS
C87750
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
NSC
1860
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-982-5
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
FDA UNII
S7S079H2C2
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
PUBCHEM
7012
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
CHEBI
86545
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID90861682
Created by admin on Thu Jul 06 14:17:35 UTC 2023 , Edited by admin on Thu Jul 06 14:17:35 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP